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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50152544   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50152544
PNG
(1-[(E)-1-ethyl-2-phenylvinyl]-4-(methylsulfonyl)be...)
Show SMILES CC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H18O2S/c1-3-15(13-14-7-5-4-6-8-14)16-9-11-17(12-10-16)20(2,18)19/h4-13H,3H2,1-2H3/b15-13+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
More data for this
Ligand-Target Pair